Naphthgeranine D
TL;DR: Naphthgeranine D (CAS 137109-46-7) is a chemical compound with molecular formula C20H20O8 and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
Also Known As: Naphthgeranine D, (3R,4R,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione, 4H-Benzo(d)naphtho(2,3-b)pyran-7,12-dione, 3,4b,5,12b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-5,5-dimethyl-, (3R-(3alpha,4beta,4aalpha,12balpha))-, (3R,4R,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho(2,3-c)isochromene-7,12-dione, (3R,4R,4aR)-3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4a,5,12b-tetrahydro-4H-benzo[d]naphtho[2,3-b]pyran-7,12-dione
| Molecular Formula | C20H20O8 |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.1158 |
| Heavy Atoms | 28 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 137109-46-7 |
|---|---|
| SMILES | CC1([C@H]2[C@H]([C@@H](C(=CC2C3=C(O1)C(=O)C4=C(C3=O)C=C(C=C4O)O)CO)O)O)C |
| InChIKey | VXMGWBBELIEFKJ-OQNGNDRUSA-N |
Product Overview
Naphthgeranine D (CAS 137109-46-7), with molecular formula C20H20O8 and molecular weight 388.12 g/mol. IUPAC: (3R,4R,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione.
Chemical Property Profile of Naphthgeranine D
Property Insights of Naphthgeranine D
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphthgeranine D. The TPSA of 145.0 Ų indicates high polarity, suggesting Naphthgeranine D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Naphthgeranine D has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Naphthgeranine D?
The CAS number of Naphthgeranine D is 137109-46-7.
What is the molecular formula of Naphthgeranine D?
The molecular formula of Naphthgeranine D is C20H20O8.
What is the molecular weight of Naphthgeranine D?
The molecular weight of Naphthgeranine D is 388.12 g/mol.
Where can I buy Naphthgeranine D?
You can request a quote for Naphthgeranine D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthgeranine D?
Yes, KEHONG BIO provides custom synthesis services for Naphthgeranine D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.